4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide

C21H27FN2O4S — CID 55371906

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H27FN2O4S/c1-4-20(16-7-11-18(28-3)12-8-16)23-21(25)6-5-15-24(2)29(26,27)19-13-9-17(22)10-14-19/h7-14,20H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyTYXFGDWJPUMUEB-UHFFFAOYSA-N
MW422.52 g/mol
LogP3.50
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide (PubChem CID 55371906) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide
PubChem CID55371906
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H27FN2O4S/c1-4-20(16-7-11-18(28-3)12-8-16)23-21(25)6-5-15-24(2)29(26,27)19-13-9-17(22)10-14-19/h7-14,20H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyTYXFGDWJPUMUEB-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 46447025
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28955234
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 42029597
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55358316
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46655665
methyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate
CID 60712386
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
N-[1-(3-chlorophenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 18145083
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92673156
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24616283
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 124561484

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide (CID 55371906) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide is CCC(NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide?
The InChIKey is TYXFGDWJPUMUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-4-20(16-7-11-18(28-3)12-8-16)23-21(25)6-5-15-24(2)29(26,27)19-13-9-17(22)10-14-19/h7-14,20H,4-6,15H2,1-3H3,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide has a molecular weight of 422.52 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 55371906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).